Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3140a1db47940d6a3fb214beb47825b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.946,
"b": 69.276,
"c": 90.872,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94926,0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.775,1.600],
"number_observations_unique": 34612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.69],
"number_observations": 9186,
"number_observations_unique": 2504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.78,1.73],
"number_observations": 9037,
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.83,1.78],
"number_observations": 8765,
"number_observations_unique": 2390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations": 8463,
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.95,1.89],
"number_observations": 8233,
"number_observations_unique": 2250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.02,1.95],
"number_observations": 8071,
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.10,2.02],
"number_observations": 7804,
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.18,2.10],
"number_observations": 7481,
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.28,2.18],
"number_observations": 7162,
"number_observations_unique": 1953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 5.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.39,2.28],
"number_observations": 6931,
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.52,2.39],
"number_observations": 6540,
"number_observations_unique": 1780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.67,2.52],
"number_observations": 6169,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.86,2.67],
"number_observations": 5811,
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.09,2.86],
"number_observations": 5402,
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.38,3.09],
"number_observations": 5036,
"number_observations_unique": 1391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [3.78,3.38],
"number_observations": 4529,
"number_observations_unique": 1259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.36,3.78],
"number_observations": 4052,
"number_observations_unique": 1128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [5.34,4.36],
"number_observations": 3365,
"number_observations_unique": 953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [7.56,5.34],
"number_observations": 2589,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.00
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [29.78,7.56],
"number_observations": 1369,
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 95.60
},
{
"type": "Redundancy",
"value": 3.20
}
]
}
]
}